Neonatal 3T basis sets used for the multi-site MARBLE study, simulated using Vespa. These correspond to the vendor-provided PRESS sequences used on Siemens, Philips and GE scanners, as described in Lally PJ, Montaldo P et al. Lancet Neuro 2019. For each vendor, a basis set is provided for each of TE=60ms and TE=288ms. File types: .RAW files (compressed into RAW.zip) - includes additional metabolites which were not included in the final basis set, but could still be useful for other neonatal MRS studies. *In GSH, glycine component has an additional 10Hz Gaussian broadening applied, following Kaiser LG. et al. JMR 202.2 (2010): 259-266* .in files - makebasis input file used to generate the fitting basis set from .RAW files .basis files - fitting basis set. *For MARBLE, the following metabolites were omitted from the fit with 'CHOMIT' control parameters: AcAc, Acn, Etm, Ser. The following metabolites were also combined with 'CHCOMB' due to their strong correlation during fitting: Thr+Lac, Asc+GSH* .pdf files - visualisation of the basis set components Some specific details: Narrow FWHM (1Hz Gaussian broadening) to allow accurate quantification of sharp linewidth neonatal spectra and undoped MRS phantoms. Two versions of each basis set: i) each metabolite has a single component in the basis set (as usual); ii) singlet peaks of NAA, Cho, Cr are separated from other resonances to allow two-point T2 relaxometry between TEs (as used for MARBLE) Ideal RF pulses are assumed TE1,TE2 are adjusted according to vendor/TE Reference singlet at 0ppm If using this to calculate peak area ratios at TE=288ms, multiply the LCModel provided 'concentrations' by a factor of the number of protons that contribute to each peak (i.e. 3 for NAA singlet @ 2.0ppm, 3 for Cr singlet @ 3.0ppm, 3 for Lac+Thr doublet @ 1.3ppm, 9 for Cho singlet @ 3.2ppm) - this will give you relative peak areas which are consistently scaled. Contact: p.lally [at] imperial.ac.uk

{"references": ["Lally P. J., Montaldo P et al. \"Magnetic resonance spectroscopy assessment of brain injury after moderate hypothermia in neonatal encephalopathy: a prospective multicentre cohort study.\" The Lancet Neurology 18.1 (2019): 35-45.", "Soher, B. J., et al. \"VeSPA: integrated applications for RF pulse design, spectral simulation and MRS data analysis.\" Proc Int Soc Magn Reson Med. Vol. 19. No. 19. 2011.", "Kaiser, L. G., et al. \"1H MRS detection of glycine residue of reduced glutathione in vivo.\" Journal of Magnetic Resonance 202.2 (2010): 259-266."]}